N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide

C11H16N2O2S — CID 104956547

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NC2CC(O)C2(C)C)s1
InChIInChI=1S/C11H16N2O2S/c1-6-12-5-7(16-6)10(15)13-8-4-9(14)11(8,2)3/h5,8-9,14H,4H2,1-3H3,(H,13,15)
InChIKeyXDGMOQBWPMDGIQ-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.34
Rot. Bonds2

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 104956547) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID104956547
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NC2CC(O)C2(C)C)s1
InChIInChI=1S/C11H16N2O2S/c1-6-12-5-7(16-6)10(15)13-8-4-9(14)11(8,2)3/h5,8-9,14H,4H2,1-3H3,(H,13,15)
InChIKeyXDGMOQBWPMDGIQ-UHFFFAOYSA-N
XLogP1.34
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629337
7-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 114632820
5,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629364
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119459538
2-methyl-N-(2-phenylcyclopropyl)-1,3-thiazole-5-carboxamide
CID 10106577
2-methyl-N-(2-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 107093535
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103860624
2,5-dibromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)thiophene-3-carboxamide
CID 104956536
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1-methylpyrazole-5-carboxamide
CID 114628278
2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-carboxamide
CID 114629328
3-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-2-carboxamide
CID 107519435
N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-pyrazole-5-carboxamide
CID 114630425

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 104956547) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NC2CC(O)C2(C)C)s1.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XDGMOQBWPMDGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-6-12-5-7(16-6)10(15)13-8-4-9(14)11(8,2)3/h5,8-9,14H,4H2,1-3H3,(H,13,15).
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 240.33 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 104956547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).